SCHEMBL7865952

SCHEMBL7865952

Nc1cccc(CC(O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CYP19A1 P11511 1/20 0.47
ADRB2 P07550 4/20 0.46
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PNMT P11086 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3078044 0.83 MAOB (0.52) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL21368939 0.82 MAOB (0.50) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL28287500 0.80 PNMT (0.48) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL8281166 0.80 ADRB2 (0.52) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL11135365 0.78 PNMT (0.56) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL10651111 0.78 PNMT (0.60) CYP3A4RECQLPNMT
SCHEMBL755879 0.76 KDM6B (0.54) MAOBMAOACYP19A1ADRB2CPN1
SCHEMBL1109101 0.76 MAOA (0.44) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL1104873 0.76 MAOB (0.48) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL23611057 0.75 MAOB (0.52) MAOBMAOACYP19A1ADRB2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306179-B1 FOR DYEING HAIR L'OREAL S.A. (FR) 2001-10-23 US disclosed